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    CAS 36635-61-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 36635-61-7, Tosmic, P-toluenesulfonylmethyl isocyanide, 1-((isocyanomethyl)sulfonyl)-4-methylbenzene, 1-(isocyanomethylsulfonyl)-4-methylbenzene, 4-toluenesulfonylmethyl isocyanide
    Molecular Formula
    C9H9NO2S
    Molecular Weight
    195.24  g/mol
    InChI Key
    CFOAUYCPAUGDFF-UHFFFAOYSA-N
    FDA UNII
    C35FD6OLH8
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(isocyanomethylsulfonyl)-4-methylbenzene
    2.1.2 InChI
    InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3
    2.1.3 InChI Key
    CFOAUYCPAUGDFF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
    2.2 Other Identifiers
    2.2.1 UNII
    C35FD6OLH8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-toluenesulfonylmethyl Isocyanide

    2. P-toluenesulphonylmethyl Isocyanide

    3. Tmic Isocyanide

    2.3.2 Depositor-Supplied Synonyms

    1. 36635-61-7

    2. Tosmic

    3. P-toluenesulfonylmethyl Isocyanide

    4. 1-((isocyanomethyl)sulfonyl)-4-methylbenzene

    5. 1-(isocyanomethylsulfonyl)-4-methylbenzene

    6. 4-toluenesulfonylmethyl Isocyanide

    7. 4-toluenesulphonylmethyl Isocyanide

    8. Tosylmethylisocyanide

    9. (p-tolylsulfonyl)methyl Isocyanide

    10. Benzene, 1-[(isocyanomethyl)sulfonyl]-4-methyl-

    11. 1-isocyanomethanesulfonyl-4-methylbenzene

    12. Toluene-4-sulfonylmethyl Isocyanide

    13. 1-isocyanomethanesulfonyl-4-methyl-benzene

    14. C35fd6olh8

    15. 1-(isocyanomethane)sulfonyl-4-methylbenzene

    16. 1-(isocyanomethylsulfonyl)-4-methyl-benzene

    17. P-toluenesulfonylmethylisonitrile

    18. P-toluenesulfonylmethylisocyanide

    19. 4-toluenesulfonylmethylisocyanide

    20. P-toluenesulphonylmethyl Isocyanide

    21. Nsc631633

    22. Nsc-631633

    23. 62796-16-1

    24. 1-[(isocyanomethyl)sulfonyl]-4-methylbenzene

    25. 4-tolylsulfonylmethyl Isocyanide

    26. Benzene, 1-((isocyanomethyl)sulfonyl)-4-methyl-

    27. (p-toluenesulphonyl)methyl Isocyanide

    28. Unii-c35fd6olh8

    29. Tmic Isocyanide

    30. Toluene-4-sulfonylmethylisocyanide

    31. Tosylmethylisonitrile

    32. Einecs 253-140-1

    33. Mfcd00000005

    34. Tosyl Methylisocyanide

    35. Tosylmethyl-isocyanide

    36. Isocyanomethyl 4-methylphenyl Sulphone

    37. 4-toluensulfonylmethyl Isocyanide

    38. Tosyl Methyl Isocyanide

    39. (tosylmethylimino)carbene

    40. 1-[(isocyanomethyl)sulphonyl]toluene

    41. Schembl1910

    42. P-tolylsulfonylmethylisocyanide

    43. P-toluenesufonylmethylisocyanide

    44. P-toluensulfonylmethylisocyanide

    45. P-tolylsulfonyl-methylisocyanide

    46. P-tolylsulfonylmethyl Isocyanide

    47. P-tosylmethyl Isonitrile

    48. 1-[(isocyanomethyl)sulphonyl]-4-methylbenzene

    49. P-toluenesulfonylmetyl Isocyanide

    50. P-toluensulfonylmethyl Isocyanide

    51. P-toluenesulphonylmethylisocyanide

    52. P-toluenesulfonyl Methylisocyanide

    53. P-toluenesulfonyl-methylisocyanide

    54. P-toluenesulfonylmethyl Isonitrile

    55. Dtxsid90190101

    56. Rho-toluenesulfonylmethylisocyanide

    57. (4-tolylsulphonyl)methylisocyanide

    58. (p-toluenesulfonyl)methylisocyanide

    59. P-toluene Sulfonylmethyl Isocyanide

    60. P-toluene-sulfonylmethyl Isocyanide

    61. P-toluenesulfonyl Methyl Isocyanide

    62. P-toluenesulfonyl-methyl Isocyanide

    63. Para-toluenesulfonylmethylisonitrile

    64. 4-toluene-sulfonylmethyl Isocyanide

    65. Toluene-4-sulfonyl Methylisocyanide

    66. Tosylmethyl Isocyanide [mi]

    67. (p-toluenesulfonyl) Methylisocyanide

    68. (p-toluenesulfonyl)methyl Isocyanide

    69. Act02824

    70. Amy13385

    71. Cs-d1496

    72. P-toluene-sulphonylmethyl Isocyanide

    73. P-toluenesulphonyl-methyl Isocyanide

    74. Para-toluenesulfonylmethyl Isocyanide

    75. Toluene-4-sulphonylmethyl Isocyanide

    76. Toluene-p-sulphonylmethyl Isocyanide

    77. (4-toluenesulfonyl)methyl Isocyanide

    78. Isocyanomethyl 4-methylphenyl Sulfone

    79. Zinc77319555

    80. (4-toluene-sulfonyl)methyl Isocyanide

    81. (para-toluenesulfonyl)methylisocyanide

    82. Isocyanomethyl P-tolyl Sulfone

    83. (para-toluenesulfonyl)methyl Isocyanide

    84. Akos005259936

    85. Ab00102

    86. (4-methylbenzenesulphonyl)methyl Isocyanide

    87. 1-(isocyano Methylsulfonyl)-4-methylbenzene

    88. 1-(isocyanomethyl-sulfonyl)-4-methylbenzene

    89. 1-isocyano-methanesulfonyl-4-methyl-benzene

    90. Ft-0630164

    91. T1046

    92. 1-(isocyanomethyl Sulfonyl)-4-methyl Benzene

    93. 1-[(isocyanomethyl) Sulfonyl]-4-methylbenzene

    94. 1-[(isocyanomethyl)-sulphonyl]-4-methylbenzene

    95. 2g-918

    96. (4-methylphenylsulfonyl)methyl Isocyanide

    97. Q4187186

    98. W-106600

    99. F0001-1046

    100. (methylidyne-.lambda.~5~-azanyl)methyl 4-methylphenyl Sulfone

    101. Methylidyne[((4-methylphenyl)sulfonyl)methyl]ammonium

    102. Methylidyne(((4-methylphenyl)sulfonyl)methyl)-.lambda.~5~-azane

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 195.24 g/mol
    Molecular Formula C9H9NO2S
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass195.03539970 g/mol
    Monoisotopic Mass195.03539970 g/mol
    Topological Polar Surface Area46.9 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity298
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1